SCHEMBL3311334

SCHEMBL3311334

COC(=O)C(CC(=O)O)Cc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
IDO1 P14902 2/20 0.44
KDR P35968 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
NOTUM Q6P988 1/20 0.42
HTT P42858 1/20 0.42
P2RX3 P56373 1/20 0.42
SLC6A3 Q01959 1/20 0.41
PDK1 Q15118 1/20 0.40
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FAAH O00519 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CASR P41180 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4501949 0.84 KMT2A (0.36) KDM4EPPARGPPARAMEN1KMT2A
SCHEMBL4501945 0.84 KMT2A (0.36) KDM4EPPARGPPARAMEN1KMT2A
SCHEMBL3309683 0.83 ADRB2 (0.43) KDM4EPPARGPPARAMEN1KMT2A
SCHEMBL3309680 0.83 ADRB2 (0.43) KDM4EPPARGPPARAMEN1KMT2A
SCHEMBL5123818 0.83 KDM4E (0.50) KDM4EPPARGPPARAIDO1KDR
SCHEMBL2931595 0.82 KDM4E (0.49) KDM4EPPARGPPARAIDO1KDR
SCHEMBL3306655 0.81 FOLH1 (0.37) PPARGKMT2A
SCHEMBL3306650 0.81 FOLH1 (0.37) PPARGKMT2A
SCHEMBL4608267 0.78 HTR2A (0.53) KDM4EPPARGPPARAMEN1KMT2A
SCHEMBL3959231 0.78 HTR2A (0.53) KDM4EPPARGPPARAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 US disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 US disclosed
CN-1708493-A Selected CGRP antagonists, method for production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KDM4E 4688/4885PPARG 2421/4885PPARA 3132/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KDM4E 4688/4885PPARG 2421/4885PPARA 3132/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.